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The official manual for Kliff states that the pbc of the dataset can be read as a boolean (True/False) type, but in reality, errors occur when attempting to do so.
Additional context
This can be solved by changing the 239 line of "kliff/dataset/extxyz.py
value = [int(i) for i in value]
to
if(all(i in ['T','F'] for i in value)):
value = [1 if i =='T' else 0 for i in value]
else:
value = [int(i) for i in value]
The text was updated successfully, but these errors were encountered:
The official manual for Kliff states that the pbc of the dataset can be read as a boolean (True/False) type, but in reality, errors occur when attempting to do so.
Additional context
This can be solved by changing the 239 line of "kliff/dataset/extxyz.py
to
The text was updated successfully, but these errors were encountered: